| ▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| MnFeAs | COD | 1526827 | P4/nmm (129) | ✔ | 6 | 56 | 3 | 0.0 | 0.012 | 0.042 | (1;000) | ✗ | 05/01/17 |
| VRh3 | COD | 1523066 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.000 | 0.621 | (1;000) | ✗ | 27/01/17 |
| RhS2 | COD | 5910087 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.689 | (1;111) | ✗ | 27/01/17 |
| YRh5 | COD | 1523668 | P6/mmm (191) | ✔ | 6 | 96 | 3 | 0.0 | 0.005 | 0.709 | (0;000) | ✗ | 27/01/17 |
| FeAs | COD | 9007671 | Pnma (62) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.486 | (0;011) | ✗ | 05/01/17 |
| Zr2Rh | COD | 1524522 | I4/mcm (140) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.779 | (0;111) | ✗ | 27/01/17 |
| Sn2Rh | COD | 1523795 | I4/mcm (140) | ✔ | 6 | 90 | 3 | 0.0 | 0.000 | 0.681 | (1;111) | ✗ | 27/01/17 |
| TaSiRh | COD | 1522285 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.051 | 0.141 | (1;000) | ✗ | 27/01/17 |
| FeAsS | COD | 1010913 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.1573 | 0.372 | 0.000 | (0;000) | ✗ | 05/01/17 |
| VRh | COD | 1523175 | P4/mmm (123) | ✔ | 2 | 30 | 3 | 0.0 | 0.011 | 0.598 | (1;001) | ✗ | 27/01/17 |
| SnRh | COD | 9008915 | P6_3/mmc (194) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.817 | (0;000) | ✗ | 27/01/17 |
| TeRh | COD | 9008916 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.849 | (0;000) | ✗ | 27/01/17 |
| TaS2 | COD | 9007815 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.863 | (1;000) | ✗ | 27/01/17 |
| TiRu | COD | 1527977 | Pm-3m (221) | ✔ | 2 | 28 | 3 | 0.0 | 0.006 | 0.272 | (1;111) | ✗ | 27/01/17 |
| Sb2Ru | COD | 9012559 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.0 | 0.545 | 0.010 | (0;000) | ✗ | 27/01/17 |
| Ru | COD | 1512537 | P6_3/mmc (194) | ✔ | 2 | 32 | 3 | 0.0 | 0.008 | 0.578 | (0;000) | ✗ | 27/01/17 |
| RuS2 | COD | 9016356 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.7339 | 0.971 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Te2Ru | COD | 1528256 | Pnnm (58) | ✔ | 6 | 56 | 3 | 0.2 | 1.021 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SbRu | COD | 9012556 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.549 | (0;011) | ✗ | 27/01/17 |
| Sn2Ru | COD | 1522876 | I4/mcm (140) | ✔ | 6 | 88 | 3 | 0.0 | 0.011 | 0.476 | (0;000) | ✗ | 27/01/17 |
| TaSnS2 | COD | 1524322 | P6_3/mmc (194) | ✔ | 8 | 78 | 3 | 0.0 | 0.000 | 0.947 | (1;000) | ✗ | 27/01/17 |
| SiS2 | COD | 1010409 | Ibam (72) | ✔ | 6 | 32 | 1 | 2.6018 | 2.896 | 0.000 | (0;000) | ✗ | 27/01/17 |
| InAsH2O5 | COD | 2015029 | P-1 (2) | ✔ | 18 | 100 | 3 | 2.7601 | 2.844 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ZrRu | COD | 1527321 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.050 | 0.320 | (1;111) | ✗ | 27/01/17 |
| PtS2 | COD | 5910085 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.4919 | 1.185 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SnS2 | COD | 9009120 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 1.4075 | 1.942 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KHgAs | COD | 7221177 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0686 | 0.093 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ZrSiSe | COD | 9008350 | P4/nmm (129) | ✔ | 6 | 28 | 3 | 0.0 | 0.018 | 0.063 | (0;001) | ✗ | 27/01/17 |
| TlSb | COD | 1010882 | Pm-3m (221) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.611 | (0;000) | ✗ | 27/01/17 |
| TiSb2 | COD | 4339242 | I4/mcm (140) | ✔ | 6 | 44 | 3 | 0.0 | 0.001 | 0.287 | (1;000) | ✗ | 27/01/17 |
| SiS4 | COD | 9016170 | Cmmm (65) | ✔ | 5 | 28 | 3 | 0.0 | 0.023 | 0.465 | (1;001) | ✗ | 27/01/17 |
| ZrS2 | COD | 5910006 | P-3m1 (164) | ✔ | 3 | 16 | 2 | 0.535 | 1.254 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TiS3 | COD | 1520546 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.2822 | 0.309 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sb2Te3 | COD | 9007590 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.1121 | 0.227 | 0.000 | (1;000) | ✗ | 27/01/17 |
| Sb2Te2Se | COD | 9007591 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.3356 | 0.346 | 0.000 | (1;000) | ✗ | 27/01/17 |
| Sr(ZnSb)2 | COD | 7221361 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.001 | 0.132 | (0;000) | ✗ | 27/01/17 |
| TlSbSe2 | COD | 1530590 | Cmmm (65) | ✔ | 4 | 30 | 3 | 0.0 | 0.075 | 0.660 | (0;111) | ✗ | 27/01/17 |
| Sb | COD | 9013011 | P6_3/mmc (194) | ✔ | 2 | 10 | 3 | 0.0 | 0.000 | 0.871 | (0;000) | ✗ | 27/01/17 |
| VSb2 | COD | 8100157 | I4/mcm (140) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.536 | (1;000) | ✗ | 27/01/17 |
| Sb | COD | 9008575 | R-3m (166) | ✔ | 2 | 10 | 3 | 0.0 | 0.081 | 0.025 | (1;111) | ✗ | 27/01/17 |
| ScSb | COD | 1527139 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.001 | 0.233 | (0;000) | ✗ | 27/01/17 |
| Sb | COD | 9013464 | P6_3/mmc (194) | ✔ | 2 | 10 | 1 | 0.0 | 0.000 | 0.874 | (1;000) | ✗ | 27/01/17 |
| Sc2Sb | COD | 8100587 | P4/nmm (129) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.836 | (1;000) | ✗ | 27/01/17 |
| Se | COD | 9013138 | R-3 (148) | ✔ | 6 | 36 | 1 | 1.2105 | 1.351 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ScTe | COD | 2018282 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.006 | 0.357 | (0;000) | ✗ | 27/01/17 |
| V3Sb | COD | 1527515 | Pm-3n (223) | ✔ | 8 | 88 | 3 | 0.0 | 0.001 | 0.269 | (1;000) | ✗ | 27/01/17 |
| KZnAs | COD | 7221178 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.2879 | 0.288 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Li3As | COD | 1010288 | P6_3/mmc (194) | ✔ | 8 | 28 | 1 | 0.7732 | 1.714 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Sc | COD | 9011655 | P4/nmm (129) | ✔ | 4 | 44 | 3 | 0.0 | 0.003 | 0.368 | (1;000) | ✗ | 27/01/17 |
| Sc | COD | 9008514 | P6_3/mmc (194) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.900 | (0;000) | ✗ | 27/01/17 |
| LiAsO3 | COD | 1529820 | R-3 (148) | ✔ | 10 | 52 | 1 | 4.0057 | 4.210 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ZrTiSe4 | COD | 1523424 | P2/m (10) | ✔ | 6 | 40 | 2 | 0.0 | 0.022 | 0.151 | (0;010) | ✗ | 27/01/17 |
| TaSe2 | COD | 2310532 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.841 | (0;001) | ✗ | 27/01/17 |
| LiAsSe2 | COD | 4102048 | P-1 (2) | ✔ | 8 | 40 | 1 | 0.0 | 0.097 | 0.008 | (0;000) | ✗ | 05/01/17 |
| S3N2O | COD | 7005890 | Cc (9) | ✗ | 12 | 68 | 1 | 2.1634 | 2.250 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Cr3B4 | COD | 1511725 | Immm (71) | ✔ | 7 | 54 | 3 | 0.0 | 0.010 | 0.693 | (0;000) | ✗ | 21/03/17 |
| B3Ru7 | COD | 1510953 | P6_3mc (186) | ✗ | 20 | 242 | 3 | 0.0 | 0.000 | 0.771 | ? | ✗ | 21/03/17 |
| Cr5B3 | COD | 7209448 | I4/mcm (140) | ✔ | 16 | 158 | 3 | 0.0 | 0.000 | 0.774 | (0;111) | ✗ | 21/03/17 |
| TiC | COD | 5910091 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.013 | 0.215 | (0;000) | ✗ | 27/01/17 |
| Pb3Au | COD | 1510273 | I-42m (121) | ✗ | 16 | 212 | 3 | 0.0 | 0.003 | 0.810 | ? | ✗ | 21/03/17 |
| CaTe | COD | 9008608 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.1904 | 2.349 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca3Au | COD | 1510066 | Pnma (62) | ✔ | 16 | 164 | 1 | 0.0 | 0.002 | 0.531 | (0;110) | ✗ | 21/03/17 |
| AuBrF6 | COD | 1510611 | P2_1 (4) | ✗ | 16 | 120 | 1 | 2.0362 | 2.037 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CaS | COD | 9008606 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 2.3258 | 3.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Y3MnAu5 | COD | 4119195 | R-3 (148) | ✔ | 18 | 206 | 3 | 0.0 | 0.021 | 0.624 | (1;111) | ✗ | 21/03/17 |
| CaSn3 | COD | 5910066 | Pm-3m (221) | ✔ | 4 | 52 | 3 | 0.0 | 0.005 | 0.323 | (0;111) | ✗ | 27/01/17 |
| K3InAu5 | COD | 4302643 | Imma (74) | ✔ | 18 | 190 | 3 | 0.0 | 0.003 | 0.743 | (0;011) | ✗ | 21/03/17 |
| Tl2Au4S3 | COD | 7109280 | Pmmn (59) | ✔ | 18 | 176 | 3 | 0.7914 | 0.791 | 0.000 | (0;000) | ✗ | 21/03/17 |
| K(SnAu2)2 | COD | 7209420 | I-4c2 (120) | ✗ | 14 | 162 | 3 | 0.0 | 0.011 | 0.694 | ? | ✗ | 21/03/17 |
| ZnAu3 | COD | 1510522 | Cmce (64) | ✔ | 16 | 180 | 3 | 0.0 | 0.003 | 0.457 | (1;000) | ✗ | 21/03/17 |
| ZnAu3 | COD | 1510520 | Cmce (64) | ✔ | 16 | 180 | 3 | 0.0 | 0.014 | 0.400 | (0;000) | ✗ | 21/03/17 |
| Rb5Au3O2 | COD | 1510508 | Pbam (55) | ✔ | 20 | 180 | 1 | 0.6586 | 0.689 | 0.000 | (0;000) | ✗ | 21/03/17 |
| LiSn4Au3 | COD | 7209416 | P6_3mc (186) | ✗ | 16 | 184 | 3 | 0.0 | 0.003 | 0.825 | ? | ✗ | 21/03/17 |
| CaSe | COD | 9008607 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.8801 | 2.837 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cd5Au3 | COD | 1510486 | I4/mcm (140) | ✔ | 16 | 186 | 3 | 0.0 | 0.000 | 0.569 | (1;000) | ✗ | 21/03/17 |
| Ca(ZnSb)2 | COD | 7221359 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.025 | 0.103 | (0;000) | ✗ | 27/01/17 |
| Ca(AuF6)2 | COD | 1510369 | P-4m2 (115) | ✗ | 15 | 116 | 1 | 1.7901 | 1.888 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba(InAu)2 | COD | 4308151 | Pnma (62) | ✔ | 20 | 232 | 3 | 0.0 | 0.006 | 0.938 | (0;000) | ✗ | 21/03/17 |
| AsS | COD | 4343657 | Cmc2_1 (36) | ✗ | 12 | 66 | 1 | 0.0 | 0.000 | 0.732 | ? | ✗ | 21/03/17 |
| KAsO3 | COD | 4511752 | P2_12_12_1 (19) | ✗ | 20 | 128 | 1 | 3.9695 | 3.970 | 0.000 | (0;000) | ✗ | 21/03/17 |
| AsH3 | COD | 1010133 | P4_232 (208) | ✗ | 16 | 32 | 1 | 0.0 | 0.001 | 0.567 | ? | ✗ | 21/03/17 |
| AsCl3 | COD | 4317526 | P2_12_12_1 (19) | ✗ | 16 | 104 | 1 | 3.8861 | 4.275 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cd2AsCl2 | COD | 1001161 | P2_1/c (14) | ✔ | 20 | 172 | 3 | 1.2332 | 1.371 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CaPd5 | COD | 1527060 | P6/mmm (191) | ✔ | 6 | 100 | 3 | 0.0 | 0.007 | 0.630 | (1;001) | ✗ | 27/01/17 |
| MgAs4 | COD | 2106317 | P4_12_12 (92) | ✗ | 20 | 120 | 3 | 0.836 | 0.848 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba3(LiAs)4 | COD | 2008761 | Immm (71) | ✔ | 11 | 62 | 1 | 0.0 | 0.002 | 0.021 | (0;000) | ✗ | 21/03/17 |
| NaZn4As3 | COD | 4326072 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.0 | 0.004 | 0.004 | (1;000) | ✗ | 21/03/17 |
| KCd4As3 | COD | 4326068 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.0 | 0.080 | 0.031 | (0;111) | ✗ | 21/03/17 |
| V3As2 | COD | 1529103 | P4/m (83) | ✔ | 20 | 196 | 3 | 0.0 | 0.000 | 0.706 | (1;110) | ✗ | 21/03/17 |
| CaPb3 | COD | 5910096 | Pm-3m (221) | ✔ | 4 | 52 | 3 | 0.0 | 0.000 | 0.455 | (0;111) | ✗ | 27/01/17 |
| Ca(ZnP)2 | COD | 7221217 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.8628 | 0.990 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KAlSiO4 | COD | 9002252 | P6_3 (173) | ✗ | 14 | 80 | 3 | 4.7175 | 4.777 | 0.000 | (0;000) | ✗ | 16/03/17 |
| KAlSiO4 | COD | 9001818 | P31c (159) | ✗ | 14 | 80 | 3 | 4.7088 | 4.709 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AlSeCl7 | COD | 2106066 | P1 (1) | ✗ | 18 | 116 | 1 | 0.0 | 0.028 | 0.737 | ? | ✗ | 16/03/17 |
| Ca | COD | 9012731 | Fm-3m (225) | ✔ | 1 | 10 | 1 | 0.0 | 0.012 | 0.456 | (0;000) | ✗ | 27/01/17 |
| Ca | COD | 9012730 | P6_3/mmc (194) | ✔ | 2 | 20 | 1 | 0.0 | 0.004 | 0.399 | (0;000) | ✗ | 27/01/17 |
| Ca | COD | 9008530 | Im-3m (229) | ✔ | 1 | 10 | 1 | 0.0 | 0.000 | 0.444 | (0;000) | ✗ | 27/01/17 |
| Ca2Al2O5 | COD | 9002389 | Ima2 (46) | ✗ | 18 | 112 | 3 | 3.8003 | 3.800 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ca(SbO3)2 | COD | 2009656 | P-31m (162) | ✔ | 9 | 56 | 2 | 3.3652 | 3.658 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaTiSiO5 | COD | 1011220 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.1981 | 3.228 | 0.000 | (0;000) | ✗ | 27/01/17 |